{4-[trans-4-Aminocyclohexylamino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl}(cyclopropyl)methanone
Basic information
- CAS
1356952-81-2- Standard SMILES
NC1CCC(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1- InChIKey
FNXWNOUGPDCXRB-UHFFFAOYSA-N- Molecular formula
- C25H25Cl2N3O2
- Average molar mass
- 470.4 g/mol
- Monoisotopic mass
- 469.1323824
Names & identifiers
- Preferred name
- {4-[trans-4-Aminocyclohexylamino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl}(cyclopropyl)methanone
- IUPAC
- [4-[(4-aminocyclohexyl)amino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl]-cyclopropylmethanone
Names & synonyms
CHEMBL3674162SCHEMBL15190957SCHEMBL15190959FNXWNOUGPDCXRB-QAQDUYKDSA-NBDBM176788DTXSID901110611US9120749, 157(a)US9120749, 157(b){4-[trans-4-Aminocyclohexylamino]-6-(3,5-dichloro-4-hydroxyphenyl)quinolin-3-yl}(cyclopropyl)methanone1356952-81-2Methanone, [4-[(trans-4-aminocyclohexyl)amino]-6-(3,5-dichloro-4-hydroxyphenyl)-3-quinolinyl]cyclopropyl-
Database identifiers
- CAS
1356952-81-2- PubChem CID
- 66715418
- DTXSID
DTXSID901110611- ChEMBL
CHEMBL3674162
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 658
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Compound notes
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